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Alkyl derivatives of the ethynyl radical (C 2 H) have been studied using density functional theory (DFT) with DZP++ basis sets. Adiabatic electron affinities (EA ad ) and ZPVE-corrected electron affinities for the alkylethynyl series CCC n H 2n+1 (n=1–4) have been computed using six different DFT functionals, i.e., BHLYP, BLYP, B3LYP, BP86, BPW91 and B3PW91. These methods...
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